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ChEMBL query Chemistry Compound clustering Education Life Sciences Lipinski's rule of five Machine learning Maximum common substructure
  1. Workflow
    TeachOpenCADD - a teaching platform for computer-aided drug design using KNIME
    ChEMBL query PDB query Molecular filtering
    +6
    The TeachOpenCADD KNIME (v1.0.5) pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in compu…
    volkamerlab > Public > TeachOpenCADD > TeachOpenCADD
    9
    volkamerlab
  2. Workflow
    Fuzzy Matching of Strings
    NLP Natural Language Processing Similarity search
    +1
    This workflow demonstrates how to apply a fuzzy matching of two string. The string matcher was designed exactly for this task, bu…
    knime > Examples > 08_Other_Analytics_Types > 01_Text_Processing > 09_Fuzzy_String_Matching
    2
    knime
  3. Workflow
    Address Deduplication
    Similarity search Distance measurement
    The workflow looks for duplicate records of restaurants by searching for similar names and addresses in a reference table. The si…
    knime > Examples > 50_Applications > 13_Address_Deduplication > 01_Deduplication_of_Address_Data
    2
    knime
  4. Workflow
    W4_Similarity_search
    Similarity search Tanimoto similarity Dice similarity
    +4
    In virtual screening (VS), compounds similar to known ligands of a target under investigation often build the starting point for …
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > Workflow > W4_Similarity_search
    1
    tymsk3891
  5. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    alice_krebs > Public > 2023_09 Chemical Data Training Helsinki > excercises > 02 Fingerprint Calculation and Similarity Search
    0
    alice_krebs
  6. Workflow
    TeachOpenCADD - a teaching platform for computer-aided drug design using KNIME
    ChEMBL query PDB query Molecular filtering
    +6
    The TeachOpenCADD KNIME (v1.0.4) pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in compu…
    bill912 > Public > TeachOpenCADD > TeachOpenCADD
    0
    bill912
  7. Workflow
    20220328 Pikairos Basket Players Matching
    Create Bit Vector Similarity Search
    This workflow shows how to calculate the similarity between sentences represented by bit vectors where bits represent the presenc…
    pikairos > Public > 20220328 Pikairos Basket Players Matching
    0
    pikairos
  8. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Life Sciences > Events > 2022_05_08_GCC > exercise > Similarity_Search_Exercise
    0
    knime
  9. Workflow
    20230406 Pikairos Compare and match 2 Columns
    Text Similarity Bit Vector Create Bit Vector
    +1
    This workflow shows how to convert strings into bit vectors using the -Create Bit Vector- node in view to comparing strings using…
    pikairos > Public > 20230406 Pikairos Compare and match 2 Columns 1
    0
    pikairos
  10. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > exercises > 02_SimilaritySearch
    0
    knime
  11. Workflow
    Fuzzy Matching of Strings
    NLP Natural Language Processing Similarity search
    +1
    This workflow demonstrates how to apply a fuzzy matching of two string. The string matcher was designed exactly for this task, bu…
    andrewbickell > Public > 09_Fuzzy_String_Matching
    0
    andrewbickell
  12. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > exercises > 03_SimilaritySearch
    0
    knime
  13. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > exercises > 04_SimilaritySearch
    0
    catherineoleary
  14. Workflow
    Fuzzy Matching of Strings
    NLP Natural Language Processing Similarity search
    +1
    This workflow demonstrates how to apply a fuzzy matching of two string. The string matcher was designed exactly for this task, bu…
    ykuthan > Public > 09_Fuzzy_String_Matching
    0
    ykuthan
  15. Workflow
    TeachOpenCADD - a teaching platform for computer-aided drug design using KNIME
    ChEMBL query PDB query Molecular filtering
    +6
    The TeachOpenCADD KNIME (v1.0.5) pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in compu…
    xuwei1212 > Public > TeachOpenCADD > TeachOpenCADD
    0
    xuwei1212
  16. Workflow
    TeachOpenCADD_reconfigured_with_KNIME_4.5
    ChEMBL query PDB query Molecular filtering
    +7
    What is this? This is TeachOpenCADD KNIME (v1.0.3) reconfigured with KNIME 4.5. - Replaced deprecated nodes. - Adopted Workflow R…
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > TeachOpenCADD_reconfigured_with_KNIME_4.5
    0
    tymsk3891
  17. Workflow
    TeachOpenCADD - a teaching platform for computer-aided drug design using KNIME
    ChEMBL query PDB query Molecular filtering
    +6
    The TeachOpenCADD KNIME (v1.0.3) pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in compu…
    naimuda > Public > TeachOpenCADD
    0
    naimuda
  18. Workflow
    Fuzzy Matching of Strings
    NLP Natural Language Processing Similarity search
    +1
    This workflow demonstrates how to apply a fuzzy matching of two string. The string matcher was designed exactly for this task, bu…
    mohiuddin7ahmed > Public > 09_Fuzzy_String_Matching
    0
    mohiuddin7ahmed
  19. Workflow
    TeachOpenCADD Workflow 4: Ligand-based screening: Compound similarity
    Similarity search Tanimoto similarity Dice similarity
    +3
    In virtual screening (VS), compounds similar to known ligands of a target under investigation often build the starting point for …
    volkamerlab > Public > TeachOpenCADD_Workflow4_Similarity_search > TeachOpenCADD_Workflow4_Similarity_search
    0
    volkamerlab